1-[3-chloro-4-fluoro-N-(2-phenylethyl)anilino]propan-2-ol

C17H19ClFNO — CID 69155900

IUPAC1-[3-chloro-4-fluoro-N-(2-phenylethyl)anilino]propan-2-ol
SMILESCC(O)CN(CCc1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H19ClFNO/c1-13(21)12-20(10-9-14-5-3-2-4-6-14)15-7-8-17(19)16(18)11-15/h2-8,11,13,21H,9-10,12H2,1H3
InChIKeyFKTJRLWBZIIPTL-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.91
Rot. Bonds6

About 1-[3-chloro-4-fluoro-N-(2-phenylethyl)anilino]propan-2-ol

1-[3-chloro-4-fluoro-N-(2-phenylethyl)anilino]propan-2-ol (PubChem CID 69155900) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-[3-chloro-4-fluoro-N-(2-phenylethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-[3-chloro-4-fluoro-N-(2-phenylethyl)anilino]propan-2-ol
PubChem CID69155900
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-[3-chloro-4-fluoro-N-(2-phenylethyl)anilino]propan-2-ol
SMILESCC(O)CN(CCc1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H19ClFNO/c1-13(21)12-20(10-9-14-5-3-2-4-6-14)15-7-8-17(19)16(18)11-15/h2-8,11,13,21H,9-10,12H2,1H3
InChIKeyFKTJRLWBZIIPTL-UHFFFAOYSA-N
XLogP3.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R,S/S,R)-syn-1-((3-chlorophenyl)(methyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897484
2-[4-(3-Chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 2766996
3-(Benzyl(3-fluorophenyl)amino)-1,1,1-trifluoropropan-2-ol
CID 10805120
1,1,1-Trifluoro-3-((3-fluorophenyl)(3-methylbenzyl)amino)propan-2-ol
CID 10806097
1,1,1-Trifluoro-3-((3-fluorophenyl)(4-methylbenzyl)amino)propan-2-ol
CID 11023887
3-((3-(Trifluoromethyl)benzyl)(3-chlorophenyl)amino)-1,1,1-trifluoropropan-2-ol
CID 11143780
1,1,1-Trifluoro-3-((3-fluorophenyl)(2-methylbenzyl)amino)propan-2-ol
CID 11782378
2-(3-chloro-4-fluoro-N-[(1R)-1-phenylethyl]anilino)propan-1-ol
CID 178339805
2-(Benzyl-3-chloro-4-fluoroanilino)-1-propanol
CID 3761652
2-[Benzyl(3-chloro-4-fluorophenyl)amino]-3-cyclopropylpropan-1-ol
CID 11515504
2-(N-benzyl-3-chloro-4-fluoroanilino)pentane-1,5-diol
CID 11522919
2-(N-benzyl-3-chloro-4-fluoroanilino)acetic acid
CID 11543880

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-fluoro-N-(2-phenylethyl)anilino]propan-2-ol?
The IUPAC name of 1-[3-chloro-4-fluoro-N-(2-phenylethyl)anilino]propan-2-ol (CID 69155900) is 1-[3-chloro-4-fluoro-N-(2-phenylethyl)anilino]propan-2-ol.
What is the SMILES notation for 1-[3-chloro-4-fluoro-N-(2-phenylethyl)anilino]propan-2-ol?
The canonical SMILES for 1-[3-chloro-4-fluoro-N-(2-phenylethyl)anilino]propan-2-ol is CC(O)CN(CCc1ccccc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-fluoro-N-(2-phenylethyl)anilino]propan-2-ol?
The InChIKey is FKTJRLWBZIIPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-13(21)12-20(10-9-14-5-3-2-4-6-14)15-7-8-17(19)16(18)11-15/h2-8,11,13,21H,9-10,12H2,1H3.
What are the key properties of 1-[3-chloro-4-fluoro-N-(2-phenylethyl)anilino]propan-2-ol?
1-[3-chloro-4-fluoro-N-(2-phenylethyl)anilino]propan-2-ol has a molecular weight of 307.80 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-fluoro-N-(2-phenylethyl)anilino]propan-2-ol is sourced from PubChem (CID 69155900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).